<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">113</id>
  <title>T3D0112</title>
  <common-name>n-Nitrosodi-n-propylamine</common-name>
  <description>N-Nitrosodi-n-propylamine is a chemical produced by industry in small amounts for research. Small amounts of n-nitrosodi-n-propylamine are also produced as a side reaction during some manufacturing processes, as a contaminant in some weed killers, and during the manufacture of some rubber products. It is one ingredient of cigarette. (L216) </description>
  <cas>621-64-7</cas>
  <pubchem-id>12130</pubchem-id>
  <chemical-formula>C6H14N2O</chemical-formula>
  <weight>130.110610</weight>
  <appearance>Yellow liquid.</appearance>
  <melting-point></melting-point>
  <boiling-point>206 °C</boiling-point>
  <density nil="true"/>
  <solubility>13 mg/mL at 24 °C [MIRVISH,SS et al.(1976)]</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure>Oral (L216); inhalation (L216) ;  dermal (L216).</route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity>Reactive metabolites of n-nitrosodi-n-propylamine are believed to form adducts with DNA, resulting in carcinogenic effects. (L216)</mechanism-of-toxicity>
  <metabolism>n-Nitrosodi-n-propylamine can be absorbed through oral, inhalation, or dermal routes. It is metabolized by cytochrome p-450 enzymes (mainly CYP 2E1) into its reactive metabolites via oxidation at the alpha, beta and gamma carbon positions. Alpha carbon oxidation is regarded as the primary pathway, resulting in formation of propionaldehyde, 1-propanol, and 2-propanol. The metabolites of n-nitrosodi-n-propylamine are excreted mainly in the urine. (L216, A152)</metabolism>
  <toxicity>LD50: 480 mg/kg (Oral, Rat) (T35)
LD50: 487 mg/kg (Subcutaneous, Rat) (T35)</toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>2B, possibly carcinogenic to humans. (L135)</carcinogenicity>
  <use-source>Small amounts of n-nitrosodi-n-propylamine are also produced as a side reaction during some manufacturing processes, as a contaminant in some weed killers, and during the manufacture of some rubber products. (L216)</use-source>
  <min-risk-level>Acute Oral: 0.095 mg/kg/day (L134)</min-risk-level>
  <health-effects>High levels of n-nitrosodi-n-propylamine may damage the liver, lung, stomach, kidneys, and heart. n-Nitrosodi-n-propylamine is also a likely carcinogen. (L216)</health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2009-03-06T18:58:06Z</created-at>
  <updated-at type="dateTime">2026-03-26T18:41:19Z</updated-at>
  <interacting-proteins>Cytochrome P450 2E1 (P05181) (A152)</interacting-proteins>
  <wikipedia></wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id>C19279</kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id>CPD-630</biocyc-id>
  <ctd-id>C013161</ctd-id>
  <stitch-id>n-Nitrosodi-n-propylamine</stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id>1053</actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins>Cytochrome P450 2E1 (P05181) 
(A152)</metabolizing-proteins>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCCN(CCC)N=O</moldb-smiles>
  <moldb-formula>C6H14N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C6H14N2O/c1-3-5-8(7-9)6-4-2/h3-6H2,1-2H3</moldb-inchi>
  <moldb-inchikey>YLKFDHTUAUWZPQ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">130.1882</moldb-average-mass>
  <moldb-mono-mass type="decimal">130.11061308</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL166242</chembl-id>
  <chemspider-id>11632</chemspider-id>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM000103</chemdb-id>
  <dsstox-id>DTXSID6021032</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000640</susdat-id>
  <iupac>nitrosodipropylamine</iupac>
</compound>
